About [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (PubChem CID 160926010) has the molecular formula C141H168Cl2F16N12O23S4
and a molecular weight of 2902.10 g/mol. Its IUPAC name is [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.
Frequently Asked Questions
What is the IUPAC name of [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The IUPAC name of [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (CID 160926010) is [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.
What is the SMILES notation for [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The canonical SMILES for [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC(F)(F)F)c12.
What is the InChIKey of [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The InChIKey is SSQLFPWJDXEDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O4S.C24H28F4N2O2.C24H31FN2O4S.C23H26ClF3N2O5S.C23H29ClN2O5S.C23H26F4N2O3/c1-13(6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22)16-11-29-18-5-4-17(25)21(20(16)18)34-35(32,33)24(26,27)28;1-13(16-11-29-18-5-4-17(25)21(20(16)18)32-24(26,27)28)6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22;1-14(17-12-26-19-6-5-18(25)22(21(17)19)31-32(4,29)30)7-20(28)27-15-8-23(2)9-16(27)11-24(3,10-15)13-23;1-12(5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21)15-10-28-17-4-3-16(24)20(19(15)17)34-35(32,33)23(25,26)27;1-13(16-11-25-18-5-4-17(24)21(20(16)18)31-32(3,29)30)6-19(27)26-14-7-22(2)8-15(26)10-23(28,9-14)12-22;1-12(15-10-28-17-4-3-16(24)20(19(15)17)32-23(25,26)27)5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21/h4-5,11,13-15,29H,6-10,12H2,1-3H3;4-5,11,13-15,29H,6-10,12H2,1-3H3;5-6,12,14-16,26H,7-11,13H2,1-4H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;4-5,11,13-15,25,28H,6-10,12H2,1-3H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3.
What are the key properties of [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one has a molecular weight of 2902.10 g/mol, XLogP of 30.36, 28 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is sourced from PubChem (CID 160926010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).